SCHEMBL9818404

SCHEMBL9818404

Cc1cc(OCc2ccc3ccccc3n2)ccc1OCc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.54
CYSLTR2 Q9NS75 2/20 0.54
GPBAR1 Q8TDU6 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9818468 0.91 CYSLTR1 (0.56) CYSLTR1CYSLTR2
SCHEMBL9818395 0.91 CYSLTR1 (0.56) CYSLTR1CYSLTR2
SCHEMBL9818449 0.90 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL6088514 0.90 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10421073 0.89 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7008709 0.89 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9818473 0.88 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7010321 0.87 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10536269 0.85 CYSLTR2 (0.42) CYSLTR1CYSLTR2
SCHEMBL6090364 0.85 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed